Sodium Nitrate

CAS 7631-99-4  ·  NaNO₃  ·  MW 84.995 g/mol

Loading molecule...
3D model Sodium Nitrate, CAS 7631-99-4, molecular formula NaNO₃, molar mass 84.995 g/mol
About Sodium Nitrate

Sodium Nitrate is a chemical compound registered under number CAS 7631-99-4, with the molecular formula NaNO₃, and a molar mass of 84.995 g/mol.

The molecule contains 5 atoms connected by 3 chemical bonds. The full systematic IUPAC name of this compound is sodium nitrate. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, polar surface area PSA = 62.9 Ų, 0 donors and 3 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaNaNO₃
Molar mass84.995 g/mol
IUPACsodium nitrate
SMILES[N+](=O)([O-])[O-].[Na+]
InChIKeyVWDWKYIASSYTQR-UHFFFAOYSA-N
logP (XLogP3)—
PSA62.9 Ų
HBD / HBA0 / 3
PubChem CIDCID 24268 ↗
GHS safety

Signal word: Danger

GHS03
GHS03
GHS07
GHS07
GHS08
GHS08

H319 — Causes serious eye irritation

H272 — May intensify fire; oxidiser

H320 — Causes eye irritation

H341 — Suspected of causing genetic defects

H370 — Causes damage to organs

H372 — Causes damage to organs through prolonged or repeated exposure

H302 — Harmful if swallowed

H315 — Causes skin irritation

H371 — May cause damage to organs

Scientific literature

Related literature

5 articles · 3 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filters:Export:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (number of articles: 5)

2004: number of articles 120042022: number of articles 22023: number of articles 120232025: number of articles 12025

Bar height = number of articles in a given year. Hover over a bar to see details.

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms
SODIUM NITRATE · 7631-99-4 · Chile saltpeter · Cubic niter · Soda niter · Nitrate of soda · etabisulfite · Nitratine · Sodium saltpeter · Nitrate de sodium · Nitric acid, sodium salt · Saltpeter (Chile) · Nitric acid monosodium salt · Nitric acid sodium salt (1:1) · Natrum nitricum
Data sources
Related molecules
📜 License & provenancePREDICTED MODEL · NOT VERIFIEDMolGod_License_1
PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors
ILLUSTRATIVE FRAGMENT ARRANGEMENT — relative positions are not structural data

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, MMFF94 force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

This substance consists of 2 separate components (for example ions). Each component was computed separately; they are arranged radially around a layout anchor for visualisation only (at least 3.0 Å apart). Their relative positions are not a crystal structure, coordination geometry, ionic contacts or any experimentally determined arrangement.

Methods and references
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
  3. Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
  4. Halgren TA. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519. doi:10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
  5. Tosco P, Stiefl N, Landrum G. Bringing the MMFF force field to the RDKit: implementation and validation. J. Cheminform. 2014, 6, 37. doi:10.1186/s13321-014-0037-3
  6. Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
  7. Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/24268
  8. Bolton EE, Kim S, Bryant SH. PubChem3D: Conformer generation. J. Cheminform. 2011, 3, 4. doi:10.1186/1758-2946-3-4 (cited for contrast: no source 3-D conformer was available to MolGod for this record)
Sodium Nitrate (CAS 7631-99-4), NaNO₃ - 3D ball-and-stick molecular model, engraved element symbols (Na N O), MolGod STL previewDownload image

MG-STL-7631-99-4-ENGRAVED · 101,786 △ · 5 MB · SHA-256 ee41f05201dd944b

Download 3D model · ENGRAVED · Na N O

Sodium Nitrate (CAS 7631-99-4), NaNO₃ - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-7631-99-4-NORMAL · 1,984 △ · 97 KB · SHA-256 0b7eb465dcc12b40

Download 3D model

Model
Sodium Nitrate · 7631-99-4
InChIKey
VWDWKYIASSYTQR-UHFFFAOYSA-N
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Sodium Nitrate (CAS 7631-99-4)
License & provenance record
Sodium Nitrate (CAS 7631-99-4) →
MolGod molecule record
Sodium Nitrate →
Source data
PubChem CID 24268 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
0b7eb465dcc12b4066a0e5907b9b0cb8e60ff0499d0593bde7b11240fcc8b433
MD5 (STL)
2bc9ebba17abff9eb61850aff67d2294
Model identifier
MG-STL-7631-99-4
Transformation
MolGod Scientific ball-and-stick mesh
Changes
PREDICTED geometry computed by MolGod Scientific (RDKit), NOT verified; rendered as a triangulated mesh.
Wikimedia Commons
not published yet

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

—